9-oxidanylidene-6-pentylsulfanyl-xanthene-2-carboxylic acid

Systemtic Name: 9-oxidanylidene-6-pentylsulfanyl-xanthene-2-carboxylic acid Openeye Name: 9-oxo-6-pentylsulfanyl-xanthene-2-carboxylic acid CAS Name: 9-oxo-6-(pentylthio)-2-xanthenecarboxylic acid IUPAC Name: 9-oxo-6-pentylsulfanylxanthene-2-carboxylic acid Traditional Name: 6-(amylthio)-9-keto-xanthene-2-carboxylic acid Formula: C19H18O4S MolecularWeight: 342.40882

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCSC1=CC2=C(C=C1)C(=O)C3=C(O2)C=CC(=C3)C(=O)O

Isomeric SMILES

CCCCCSC1=CC2=C(C=C1)C(=O)C3=C(O2)C=CC(=C3)C(=O)O

InChI

InChI=1S/C19H18O4S/c1-2-3-4-9-24-13-6-7-14-17(11-13)23-16-8-5-12(19(21)22)10-15(16)18(14)20/h5-8,10-11H,2-4,9H2,1H3,(H,21,22)